ethyl 2-(2,6-difluorobenzamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,6-difluorobenzamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2,6-difluorobenzamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | V012-4330 |
Compound Name: | ethyl 2-(2,6-difluorobenzamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 407.48 |
Molecular Formula: | C21 H23 F2 N O3 S |
Smiles: | CCCC1CCc2c(C(=O)OCC)c(NC(c3c(cccc3F)F)=O)sc2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8467 |
logD: | 0.3329 |
logSw: | -5.6485 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.798 |
InChI Key: | XEIAKYOQFHSSKW-GFCCVEGCSA-N |